CID 229427

S-ethyl ethanesulfinothioate

Structural Information

Molecular Formula

C₄H₁₀OS₂

SMILES

CCSS(=O)CC

InChI

InChI=1S/C4H10OS2/c1-3-6-7(5)4-2/h3-4H2,1-2H3

InChIKey

FIWQKOIUXFENIV-UHFFFAOYSA-N

Compound name

1-ethylsulfinylsulfanylethane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 19
Patents: 138.0173 Da
Monoisotopic Mass: 0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	139.02458	126.8
[M+Na]+	161.00652	136.4
[M+NH4]+	156.05112	136.0
[M+K]+	176.98046	127.5
[M-H]-	137.01002	127.0
[M+Na-2H]-	158.99197	129.2
[M]+	138.01675	129.1
[M]-	138.01785	129.1

Literature stripe

literature stripe

Patent stripe

patents stripe